#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kjg s SER 2 N 0.00 6.56 0.00 7.83 0.15 -1.26 -4.94 113.70 122.04 2kjg s SER 2 Ca 0.00 1.75 0.00 0.00 0.70 0.00 0.00 55.95 58.40 2kjg s SER 2 Cb 0.00 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 2kjg s SER 2 CO 0.00 -0.63 0.92 0.00 1.20 0.00 0.00 173.24 174.73 2kjg n ILE 3 N -1.10 0.00 1.79 6.45 3.06 -1.26 -4.85 119.36 123.45 2kjg n ILE 3 Ca 0.08 0.00 0.09 0.00 -2.50 0.00 0.00 62.75 60.42 2kjg n ILE 3 Cb 0.53 0.45 0.49 0.00 0.54 0.00 0.00 39.64 41.65 2kjg n ILE 3 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 2kjg n LEU 4 N 0.00 0.46 0.14 9.51 4.77 -1.26 -2.92 117.00 127.70 2kjg n LEU 4 Ca 0.00 -0.19 0.03 0.00 -0.03 0.00 0.00 56.01 55.82 2kjg n LEU 4 Cb 0.67 -0.03 0.03 0.00 -2.33 0.00 0.00 43.42 41.76 2kjg n LEU 4 CO 0.00 0.10 0.49 -0.33 -1.33 0.00 0.00 177.39 176.31 2kjg h GLU 5 N 0.61 0.00 -6.10 3.23 5.08 -2.03 -3.46 114.58 111.92 2kjg h GLU 5 Ca 0.00 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.80 2kjg h GLU 5 Cb 0.13 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.33 2kjg h GLU 5 CO 0.00 0.49 0.10 0.34 -1.00 0.00 0.00 179.01 178.94 2kjg s ASP 6 N -6.45 7.04 0.27 1.42 -1.08 -1.15 -4.97 116.67 111.76 2kjg s ASP 6 Ca 0.04 1.25 0.10 0.00 -0.52 0.00 0.00 52.55 53.42 2kjg s ASP 6 Cb 0.07 -2.42 0.36 0.00 -1.46 0.00 0.00 42.92 39.47 2kjg s ASP 6 CO 0.74 -0.08 1.61 -0.65 0.52 0.00 0.00 175.17 177.31 2kjg h PRO 7 N 6.50 0.03 0.00 4.34 0.11 -1.91 -3.04 132.00 138.03 2kjg h PRO 7 Ca -0.42 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.52 2kjg h PRO 7 Cb 1.20 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 2kjg h PRO 7 CO 0.74 0.63 -0.71 0.93 -0.21 0.00 0.00 178.00 179.38 2kjg h GLU 8 N 0.02 0.00 -0.60 1.05 4.39 -1.96 -3.10 114.58 114.38 2kjg h GLU 8 Ca -0.01 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 2kjg h GLU 8 Cb 1.08 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.70 2kjg h GLU 8 CO 0.08 0.71 0.16 0.35 -1.16 0.00 0.00 179.01 179.14 2kjg h PHE 9 N 0.00 0.99 -0.38 4.33 3.57 -1.86 -1.75 116.94 121.83 2kjg h PHE 9 Ca -0.01 -0.11 -0.04 0.00 3.53 0.00 0.00 57.97 61.34 2kjg h PHE 9 Cb 1.35 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.79 2kjg h PHE 9 CO 0.00 0.83 0.06 -0.24 -2.23 0.00 0.00 178.31 176.73 2kjg h VAL 10 N 0.86 1.19 -0.64 1.41 3.04 -1.51 0.29 116.25 120.89 2kjg h VAL 10 Ca 0.19 -0.72 0.02 0.00 -1.01 0.00 0.00 66.70 65.18 2kjg h VAL 10 Cb 0.33 0.84 -0.04 0.00 -2.01 0.00 0.00 31.29 30.42 2kjg h VAL 10 CO -0.00 0.26 0.41 0.11 -1.01 0.00 0.00 177.57 177.33 2kjg h LYS 11 N 0.56 0.78 -0.49 4.17 1.57 -1.36 -2.28 116.57 119.52 2kjg h LYS 11 Ca 0.13 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 2kjg h LYS 11 Cb 0.27 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 2kjg h LYS 11 CO 0.00 0.52 0.23 -0.07 -0.57 0.00 0.00 179.45 179.56 2kjg h LEU 12 N 0.81 0.62 -1.22 2.94 3.38 -0.32 0.13 115.31 121.65 2kjg h LEU 12 Ca 0.25 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 2kjg h LEU 12 Cb -0.03 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 2kjg h LEU 12 CO -0.08 0.54 0.32 0.03 0.09 0.00 0.00 178.44 179.34 2kjg h ARG 13 N 0.69 0.86 0.20 1.13 2.47 -0.46 0.31 114.38 119.59 2kjg h ARG 13 Ca 0.17 -0.10 -0.31 0.00 -1.26 0.00 0.00 59.98 58.48 2kjg h ARG 13 Cb 0.09 -0.17 0.03 0.00 -1.65 0.00 0.00 29.97 28.27 2kjg h ARG 13 CO -0.02 0.65 -1.37 1.96 0.56 0.00 0.00 179.97 181.74 2kjg h GLN 14 N 0.87 0.45 -0.09 0.04 4.20 -0.84 -3.29 115.11 116.45 2kjg h GLN 14 Ca 0.22 -0.75 0.01 0.00 0.06 0.00 0.00 58.65 58.18 2kjg h GLN 14 Cb 0.05 0.28 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 2kjg h GLN 14 CO -0.03 1.36 0.04 0.35 -0.67 0.00 0.00 178.83 179.87 2kjg h PHE 15 N 0.13 0.07 0.00 2.96 3.04 -0.39 -3.46 116.94 119.30 2kjg h PHE 15 Ca -0.21 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.75 2kjg h PHE 15 Cb 2.08 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 40.57 2kjg h PHE 15 CO 0.10 0.04 0.00 1.17 -2.02 0.00 0.00 178.31 177.60 2kjg n LYS 16 N -5.06 0.00 -3.51 1.11 4.81 0.11 -4.43 118.16 111.19 2kjg n LYS 16 Ca -0.05 0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 57.18 2kjg n LYS 16 Cb 0.04 0.00 -0.13 0.00 0.02 0.00 0.00 35.03 34.96 2kjg n LYS 16 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 2kjg s GLY 17 N 0.00 0.09 -0.02 3.14 0.00 -1.25 -3.77 107.32 105.50 2kjg s GLY 17 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 44.72 44.76 2kjg s GLY 17 CO 0.00 2.12 1.00 0.28 0.00 0.00 0.00 173.10 176.50 2kjg n LYS 18 N 5.31 0.24 -4.43 2.90 5.02 -1.26 -5.08 118.16 120.86 2kjg n LYS 18 Ca -0.05 -1.25 -0.21 0.00 -2.02 0.00 0.00 58.31 54.78 2kjg n LYS 18 Cb 0.49 -0.67 -0.10 0.00 -0.02 0.00 0.00 35.03 34.72 2kjg n LYS 18 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2kjg s VAL 19 N -0.49 1.25 -0.45 -0.18 -7.23 -1.26 -4.99 120.40 107.05 2kjg s VAL 19 Ca 0.05 -2.03 -0.26 0.00 -1.81 0.00 0.00 61.98 57.94 2kjg s VAL 19 Cb 0.05 -2.65 0.03 0.00 0.56 0.00 0.00 36.38 34.36 2kjg s VAL 19 CO 0.01 -0.11 0.95 0.20 -0.31 0.00 0.00 175.10 175.84 2kjg s ASN 20 N -3.45 6.54 0.22 4.85 0.01 -1.26 -4.93 114.94 116.92 2kjg s ASN 20 Ca 0.34 0.22 -0.10 0.00 -0.71 0.00 0.00 52.86 52.61 2kjg s ASN 20 Cb 0.07 -2.46 0.33 0.00 0.41 0.00 0.00 41.25 39.60 2kjg s ASN 20 CO 0.14 -1.06 1.66 0.15 -1.51 0.00 0.00 177.10 176.48 2kjg h PHE 21 N 9.03 -0.02 -0.13 2.20 3.57 -1.98 -0.78 116.94 128.82 2kjg h PHE 21 Ca -0.24 0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.26 2kjg h PHE 21 Cb 1.07 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.92 2kjg h PHE 21 CO 0.88 -0.17 -0.16 -0.91 -2.23 0.00 0.00 178.31 175.72 2kjg h ASN 22 N 0.12 0.20 0.05 0.41 2.35 -1.99 0.92 115.58 117.66 2kjg h ASN 22 Ca 0.34 -0.04 -0.27 0.00 -0.55 0.00 0.00 56.30 55.78 2kjg h ASN 22 Cb 0.57 -0.05 0.02 0.00 0.05 0.00 0.00 38.32 38.91 2kjg h ASN 22 CO -0.55 0.39 -1.07 0.25 -1.65 0.00 0.00 177.43 174.79 2kjg h LEU 23 N 0.20 0.85 -0.75 1.61 5.85 -1.65 -2.01 115.31 119.42 2kjg h LEU 23 Ca 0.04 -0.78 0.00 0.00 0.84 0.00 0.00 57.88 57.98 2kjg h LEU 23 Cb 0.41 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 2kjg h LEU 23 CO 0.03 1.53 0.47 0.58 -0.34 0.00 0.00 178.44 180.71 2kjg h VAL 24 N 0.27 1.21 -0.63 1.05 2.07 -0.67 0.35 116.25 119.89 2kjg h VAL 24 Ca -0.15 -0.42 0.05 0.00 0.82 0.00 0.00 66.70 67.00 2kjg h VAL 24 Cb 1.74 0.14 -0.05 0.00 -1.52 0.00 0.00 31.29 31.60 2kjg h VAL 24 CO 0.21 0.21 0.35 -0.03 0.02 0.00 0.00 177.57 178.33 2kjg h MET 25 N 1.02 0.64 -0.40 1.57 1.85 -0.83 -0.02 114.93 118.77 2kjg h MET 25 Ca 0.27 -0.04 -0.13 0.00 -0.61 0.00 0.00 59.70 59.20 2kjg h MET 25 Cb -0.07 -0.14 -0.01 0.00 0.43 0.00 0.00 31.60 31.80 2kjg h MET 25 CO -0.05 0.43 -0.26 0.37 -0.40 0.00 0.00 176.91 177.00 2kjg h GLN 26 N 0.66 0.82 -0.01 0.39 4.15 -0.48 0.45 115.11 121.09 2kjg h GLN 26 Ca 0.28 -0.35 0.02 0.00 0.77 0.00 0.00 58.65 59.36 2kjg h GLN 26 Cb 0.14 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.78 2kjg h GLN 26 CO -0.16 0.98 -0.12 0.82 -1.93 0.00 0.00 178.83 178.42 2kjg h ILE 27 N 0.71 0.70 -0.68 2.39 1.08 0.64 0.51 117.51 122.86 2kjg h ILE 27 Ca 0.09 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.50 2kjg h ILE 27 Cb 0.79 0.70 -0.03 0.00 -3.07 0.00 0.00 36.82 35.21 2kjg h ILE 27 CO 0.07 0.00 0.21 -0.07 -0.69 0.00 0.00 178.15 177.67 2kjg h LEU 28 N -0.20 0.99 -0.16 1.44 3.38 -0.94 -2.20 115.31 117.63 2kjg h LEU 28 Ca 0.05 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 2kjg h LEU 28 Cb 0.26 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2kjg h LEU 28 CO -0.13 0.94 0.00 -0.78 0.09 0.00 0.00 178.44 178.56 2kjg h ASP 29 N 0.99 0.27 -0.85 -0.43 3.58 -0.48 -0.92 116.42 118.57 2kjg h ASP 29 Ca 0.22 -0.30 -0.03 0.00 0.42 0.00 0.00 57.03 57.34 2kjg h ASP 29 Cb 0.30 -0.07 -0.04 0.00 1.72 0.00 0.00 39.33 41.24 2kjg h ASP 29 CO -0.01 0.50 0.44 -0.08 -2.88 0.00 0.00 179.24 177.21 2kjg h GLU 30 N 0.02 1.21 -0.17 0.28 4.81 0.15 0.74 114.58 121.63 2kjg h GLU 30 Ca 0.04 -0.16 -0.21 0.00 -0.13 0.00 0.00 59.36 58.90 2kjg h GLU 30 Cb 0.36 -0.23 0.01 0.00 0.63 0.00 0.00 28.75 29.52 2kjg h GLU 30 CO 0.01 0.91 -0.73 -0.84 -0.73 0.00 0.00 179.01 177.63 2kjg h ILE 31 N 1.21 1.29 0.10 2.32 3.07 -1.37 -2.96 117.51 121.17 2kjg h ILE 31 Ca 0.30 -1.95 0.01 0.00 1.55 0.00 0.00 64.86 64.77 2kjg h ILE 31 Cb 0.08 1.93 -0.02 0.00 -0.27 0.00 0.00 36.82 38.53 2kjg h ILE 31 CO -0.04 0.62 -0.17 -0.08 -1.05 0.00 0.00 178.15 177.42 2kjg h GLU 32 N 0.53 -0.33 0.00 0.16 4.81 -0.33 0.35 114.58 119.77 2kjg h GLU 32 Ca -0.04 0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.15 2kjg h GLU 32 Cb 1.35 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.79 2kjg h GLU 32 CO 0.15 -0.22 -0.29 1.37 -0.73 0.00 0.00 179.01 179.29 2kjg h LEU 33 N -0.34 0.00 0.00 1.64 8.10 -0.98 0.46 115.31 124.19 2kjg h LEU 33 Ca 0.02 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 58.01 2kjg h LEU 33 Cb 0.36 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.58 2kjg h LEU 33 CO -0.09 0.29 -0.03 -0.78 -4.11 0.00 0.00 178.44 173.71 2kjg h ASP 34 N 0.00 0.03 0.25 0.17 3.58 -1.27 -3.28 116.42 115.89 2kjg h ASP 34 Ca -0.00 -0.80 -0.01 0.00 0.42 0.00 0.00 57.03 56.63 2kjg h ASP 34 Cb 0.55 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.59 2kjg h ASP 34 CO 0.04 0.83 -0.07 0.25 -2.88 0.00 0.00 179.24 177.41 2kjg h LEU 35 N -0.77 0.00 -1.18 2.28 5.85 -0.13 -2.04 115.31 119.33 2kjg h LEU 35 Ca -0.00 0.00 0.26 0.00 0.84 0.00 0.00 57.88 58.98 2kjg h LEU 35 Cb 0.83 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 41.75 2kjg h LEU 35 CO 0.01 0.07 0.64 -0.09 -0.34 0.00 0.00 178.44 178.72 2kjg h ARG 36 N 0.00 0.47 0.00 1.25 9.65 -0.97 -3.36 114.38 121.42 2kjg h ARG 36 Ca -0.00 -0.03 -0.13 0.00 -1.10 0.00 0.00 59.98 58.72 2kjg h ARG 36 Cb 0.21 -0.11 -0.12 0.00 -1.39 0.00 0.00 29.97 28.57 2kjg h ARG 36 CO 0.01 0.31 -0.03 0.41 2.80 0.00 0.00 179.97 183.47 2kjg n GLY 37 N -1.39 -0.95 0.00 2.80 0.00 -1.02 -5.08 105.19 99.56 2kjg n GLY 37 Ca 0.26 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.89 2kjg n GLY 37 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kjg n SER 38 N 0.36 0.00 -0.03 1.61 7.64 -0.80 -5.07 113.62 117.34 2kjg n SER 38 Ca -0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.83 2kjg n SER 38 Cb 0.74 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.94 2kjg n SER 38 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2kjg n ASP 39 N -0.95 1.34 -4.81 6.43 -0.08 -1.26 -5.05 116.55 112.17 2kjg n ASP 39 Ca 0.00 -0.02 -0.35 0.00 -1.51 0.00 0.00 54.79 52.91 2kjg n ASP 39 Cb 0.00 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.40 2kjg n ASP 39 CO 0.00 0.00 0.00 0.21 0.12 0.00 0.00 177.20 177.53 2kjg s ASN 40 N 0.97 7.06 0.30 1.67 3.84 -1.26 -4.69 114.94 122.83 2kjg s ASN 40 Ca 0.00 1.57 0.00 0.00 0.21 0.00 0.00 52.86 54.64 2kjg s ASN 40 Cb 0.00 -2.48 0.52 0.00 -0.55 0.00 0.00 41.25 38.74 2kjg s ASN 40 CO 0.00 -0.13 1.93 -0.29 -2.79 0.00 0.00 177.10 175.82 2kjg h ILE 41 N 2.38 1.10 -0.10 -5.21 2.10 -1.95 0.11 117.51 115.93 2kjg h ILE 41 Ca -0.48 -0.35 -0.07 0.00 1.08 0.00 0.00 64.86 65.03 2kjg h ILE 41 Cb 1.19 -0.03 -0.01 0.00 -1.09 0.00 0.00 36.82 36.88 2kjg h ILE 41 CO 0.64 0.19 -0.27 0.07 -1.08 0.00 0.00 178.15 177.70 2kjg h LYS 42 N 1.03 0.19 -0.15 2.19 2.10 -1.95 0.15 116.57 120.13 2kjg h LYS 42 Ca 0.37 -0.06 -0.18 0.00 -2.00 0.00 0.00 60.65 58.77 2kjg h LYS 42 Cb 0.13 -0.02 0.01 0.00 -0.90 0.00 0.00 32.23 31.45 2kjg h LYS 42 CO -0.12 0.45 -0.63 1.15 -2.00 0.00 0.00 179.45 178.30 2kjg h THR 43 N 0.17 1.31 -0.98 0.07 2.02 -1.49 -2.93 112.91 111.08 2kjg h THR 43 Ca 0.03 -1.87 0.02 0.00 0.77 0.00 0.00 66.41 65.35 2kjg h THR 43 Cb 0.58 2.03 -0.05 0.00 -1.74 0.00 0.00 68.15 68.96 2kjg h THR 43 CO 0.04 0.58 0.65 0.28 0.37 0.00 0.00 175.52 177.44 2kjg h SER 44 N 0.37 1.11 -0.58 4.18 0.02 -0.15 -1.73 113.55 116.78 2kjg h SER 44 Ca -0.04 -0.02 0.11 0.00 -0.84 0.00 0.00 61.79 61.00 2kjg h SER 44 Cb 1.26 -0.27 -0.08 0.00 0.14 0.00 0.00 62.40 63.45 2kjg h SER 44 CO 0.13 0.79 0.14 0.40 -1.14 0.00 0.00 176.83 177.15 2kjg h ILE 45 N 1.31 0.67 -0.32 3.27 1.08 -0.63 -2.72 117.51 120.17 2kjg h ILE 45 Ca 0.37 -0.09 0.03 0.00 -0.39 0.00 0.00 64.86 64.77 2kjg h ILE 45 Cb -0.11 0.37 -0.03 0.00 -3.07 0.00 0.00 36.82 33.98 2kjg h ILE 45 CO -0.09 0.05 0.13 0.40 -0.69 0.00 0.00 178.15 177.95 2kjg h ILE 46 N 0.28 0.94 -0.75 -0.67 2.04 -1.13 0.15 117.51 118.36 2kjg h ILE 46 Ca 0.30 -0.10 0.01 0.00 1.00 0.00 0.00 64.86 66.08 2kjg h ILE 46 Cb 0.43 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 2kjg h ILE 46 CO -0.38 0.05 0.49 1.88 0.00 0.00 0.00 178.15 180.20 2kjg h TYR 47 N 0.28 0.94 -0.02 1.37 0.05 -1.37 0.13 116.97 118.35 2kjg h TYR 47 Ca 0.14 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.93 2kjg h TYR 47 Cb 0.09 -0.32 0.00 0.00 1.01 0.00 0.00 36.73 37.52 2kjg h TYR 47 CO -0.12 0.58 -0.05 0.28 -1.05 0.00 0.00 178.16 177.80 2kjg h VAL 48 N 1.00 1.46 -0.79 -2.88 2.07 -1.26 -2.51 116.25 113.34 2kjg h VAL 48 Ca 0.28 -1.42 -0.04 0.00 0.82 0.00 0.00 66.70 66.34 2kjg h VAL 48 Cb -0.09 2.37 -0.04 0.00 -1.52 0.00 0.00 31.29 32.01 2kjg h VAL 48 CO -0.07 0.38 0.33 1.88 0.02 0.00 0.00 177.57 180.11 2kjg h TYR 49 N -0.50 1.18 -0.07 1.57 -1.99 -0.46 -0.81 116.97 115.90 2kjg h TYR 49 Ca -0.00 -0.08 -0.08 0.00 2.00 0.00 0.00 58.73 60.57 2kjg h TYR 49 Cb 0.64 -0.36 -0.01 0.00 2.00 0.00 0.00 36.73 39.00 2kjg h TYR 49 CO 0.13 0.89 -0.30 1.03 -0.00 0.00 0.00 178.16 179.90 2kjg h SER 50 N 1.14 0.13 0.95 3.88 0.87 -0.77 -1.57 113.55 118.18 2kjg h SER 50 Ca 0.27 -0.04 -0.19 0.00 -1.23 0.00 0.00 61.79 60.60 2kjg h SER 50 Cb 0.19 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.08 2kjg h SER 50 CO -0.03 0.44 -1.12 -1.28 -0.53 0.00 0.00 176.83 174.32 2kjg h SER 51 N 0.12 0.00 -0.49 6.23 0.87 -0.96 -3.34 113.55 115.98 2kjg h SER 51 Ca 0.02 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.24 2kjg h SER 51 Cb 0.60 0.00 -0.24 0.00 -0.44 0.00 0.00 62.40 62.32 2kjg h SER 51 CO 0.04 0.76 -0.47 1.41 -0.53 0.00 0.00 176.83 178.05 2kjg n HIS 52 N -3.14 1.72 -0.34 2.24 8.25 -0.36 -4.85 115.22 118.74 2kjg n HIS 52 Ca -0.05 -1.97 0.20 0.00 -0.26 0.00 0.00 57.72 55.63 2kjg n HIS 52 Cb 0.88 -0.43 0.42 0.00 1.12 0.00 0.00 29.99 31.98 2kjg n HIS 52 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2kjg h LEU 53 N 1.62 0.62 -0.05 2.41 3.38 -1.43 -2.73 115.31 119.13 2kjg h LEU 53 Ca 0.26 0.16 0.02 0.00 0.09 0.00 0.00 57.88 58.41 2kjg h LEU 53 Cb 1.36 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 42.15 2kjg h LEU 53 CO 0.54 0.02 -0.10 -0.78 0.09 0.00 0.00 178.44 178.21 2kjg h ASP 54 N 0.49 -0.30 0.43 -0.43 3.58 -1.89 0.14 116.42 118.45 2kjg h ASP 54 Ca 0.68 0.05 -0.16 0.00 0.42 0.00 0.00 57.03 58.02 2kjg h ASP 54 Cb 1.39 0.14 -0.01 0.00 1.72 0.00 0.00 39.33 42.57 2kjg h ASP 54 CO -0.52 -0.14 -0.67 -0.08 -2.88 0.00 0.00 179.24 174.95 2kjg h GLU 55 N -0.15 0.22 -0.39 0.28 4.57 -1.90 -1.91 114.58 115.30 2kjg h GLU 55 Ca 0.06 -0.17 -0.02 0.00 -1.18 0.00 0.00 59.36 58.05 2kjg h GLU 55 Cb 0.22 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.83 2kjg h GLU 55 CO -0.14 0.81 0.17 0.82 -1.18 0.00 0.00 179.01 179.49 2kjg h ILE 56 N 0.15 1.18 0.00 2.32 1.08 -1.15 -0.76 117.51 120.33 2kjg h ILE 56 Ca -0.02 -0.53 -0.15 0.00 -0.39 0.00 0.00 64.86 63.78 2kjg h ILE 56 Cb 1.20 0.81 -0.02 0.00 -3.07 0.00 0.00 36.82 35.75 2kjg h ILE 56 CO 0.10 0.19 -0.69 0.08 -0.69 0.00 0.00 178.15 177.14 2kjg h ARG 57 N 0.48 0.00 -0.11 2.37 0.11 -0.71 -1.37 114.38 115.15 2kjg h ARG 57 Ca 0.13 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 60.10 2kjg h ARG 57 Cb 0.14 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.21 2kjg h ARG 57 CO -0.01 0.69 -0.43 -0.22 0.10 0.00 0.00 179.97 180.10 2kjg h LYS 58 N 0.00 0.25 -1.76 0.08 3.11 -0.89 -3.00 116.57 114.36 2kjg h LYS 58 Ca -0.01 -0.13 -0.52 0.00 -2.81 0.00 0.00 60.65 57.19 2kjg h LYS 58 Cb 1.40 0.00 -0.41 0.00 -1.00 0.00 0.00 32.23 32.21 2kjg h LYS 58 CO 0.09 0.64 -0.90 0.09 -2.81 0.00 0.00 179.45 176.56 2kjg n ASN 59 N -4.01 3.12 0.28 4.20 3.02 -0.33 -4.88 115.26 116.66 2kjg n ASN 59 Ca -0.02 -3.35 0.15 0.00 -0.03 0.00 0.00 54.58 51.33 2kjg n ASN 59 Cb 0.50 -0.54 0.82 0.00 -0.61 0.00 0.00 39.78 39.94 2kjg n ASN 59 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 2kjg h LYS 60 N 2.88 0.00 0.62 3.52 2.10 -1.10 0.12 116.57 124.71 2kjg h LYS 60 Ca 0.12 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.74 2kjg h LYS 60 Cb 0.85 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.19 2kjg h LYS 60 CO 0.69 0.08 -0.30 0.93 -2.00 0.00 0.00 179.45 178.85 2kjg h GLU 61 N 0.00 -0.80 0.10 0.07 4.39 -1.88 -1.13 114.58 115.33 2kjg h GLU 61 Ca -0.00 0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.75 2kjg h GLU 61 Cb 0.24 0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 29.07 2kjg h GLU 61 CO 0.01 -0.49 -0.06 0.35 -1.16 0.00 0.00 179.01 177.66 2kjg h PHE 62 N -1.03 -0.17 0.00 4.33 3.57 -1.68 -1.64 116.94 120.33 2kjg h PHE 62 Ca -0.09 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.36 2kjg h PHE 62 Cb 0.69 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.48 2kjg h PHE 62 CO -0.00 -0.10 -0.23 1.88 -2.23 0.00 0.00 178.31 177.62 2kjg h TYR 63 N -0.16 0.00 0.03 0.41 0.05 -0.87 0.59 116.97 117.02 2kjg h TYR 63 Ca -0.01 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.66 2kjg h TYR 63 Cb 0.14 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.89 2kjg h TYR 63 CO -0.09 0.23 -0.46 0.22 -1.05 0.00 0.00 178.16 177.01 2kjg h ASP 64 N 0.00 0.36 0.01 3.88 3.58 -0.90 -2.68 116.42 120.66 2kjg h ASP 64 Ca -0.00 -0.83 0.01 0.00 0.42 0.00 0.00 57.03 56.63 2kjg h ASP 64 Cb 0.56 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.49 2kjg h ASP 64 CO 0.03 1.14 -0.04 0.24 -2.88 0.00 0.00 179.24 177.73 2kjg h MET 65 N -0.39 -0.07 -0.66 0.28 2.86 -1.02 -2.32 114.93 113.60 2kjg h MET 65 Ca -0.07 0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.54 2kjg h MET 65 Cb 1.24 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.89 2kjg h MET 65 CO 0.09 -0.05 0.26 -0.84 1.06 0.00 0.00 176.91 177.43 2kjg h ILE 66 N -0.08 1.24 -0.98 -1.22 3.07 -1.00 -1.08 117.51 117.46 2kjg h ILE 66 Ca 0.01 -0.76 0.08 0.00 1.55 0.00 0.00 64.86 65.73 2kjg h ILE 66 Cb 0.09 0.50 -0.07 0.00 -0.27 0.00 0.00 36.82 37.07 2kjg h ILE 66 CO -0.03 0.30 0.63 0.00 -1.05 0.00 0.00 178.15 178.00 2kjg h ALA 67 N 1.11 1.45 0.15 0.16 0.00 -1.27 0.56 119.26 121.43 2kjg h ALA 67 Ca 0.22 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2kjg h ALA 67 Cb 0.22 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2kjg h ALA 67 CO -0.02 0.38 -0.07 1.49 0.00 0.00 0.00 179.25 181.04 2kjg h GLU 68 N 1.11 -0.19 -0.70 0.00 4.57 -1.06 -3.05 114.58 115.26 2kjg h GLU 68 Ca 0.44 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.63 2kjg h GLU 68 Cb 0.23 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.83 2kjg h GLU 68 CO -0.18 0.20 0.45 0.82 -1.18 0.00 0.00 179.01 179.11 2kjg h ILE 69 N -0.62 1.19 -0.58 2.32 2.04 -0.44 -2.31 117.51 119.10 2kjg h ILE 69 Ca -0.02 -0.37 0.10 0.00 1.00 0.00 0.00 64.86 65.57 2kjg h ILE 69 Cb 0.47 0.18 -0.08 0.00 -0.74 0.00 0.00 36.82 36.65 2kjg h ILE 69 CO 0.03 0.19 0.14 -0.07 0.00 0.00 0.00 178.15 178.44 2kjg h LEU 70 N 0.95 0.05 -0.31 1.44 3.38 0.06 0.18 115.31 121.06 2kjg h LEU 70 Ca 0.25 0.10 -0.09 0.00 0.09 0.00 0.00 57.88 58.23 2kjg h LEU 70 Cb -0.08 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2kjg h LEU 70 CO -0.05 0.04 -0.17 1.56 0.09 0.00 0.00 178.44 179.91 2kjg h GLN 71 N 0.28 0.67 -0.21 1.13 4.20 -1.37 -0.07 115.11 119.73 2kjg h GLN 71 Ca 0.30 -0.30 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2kjg h GLN 71 Cb 0.42 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 2kjg h GLN 71 CO -0.36 0.89 0.11 -0.09 -0.67 0.00 0.00 178.83 178.71 2kjg h ARG 72 N 0.43 0.30 0.00 1.46 2.43 -0.84 -2.94 114.38 115.22 2kjg h ARG 72 Ca 0.07 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2kjg h ARG 72 Cb 0.71 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 2kjg h ARG 72 CO 0.05 0.31 -0.44 1.88 -1.51 0.00 0.00 179.97 180.25 2kjg h TYR 73 N 0.22 0.00 -0.19 2.20 -1.99 -0.68 -3.12 116.97 113.43 2kjg h TYR 73 Ca 0.07 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.72 2kjg h TYR 73 Cb 0.10 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.81 2kjg h TYR 73 CO -0.03 0.00 -0.26 -0.92 -0.00 0.00 0.00 178.16 176.95 2kjg h TYR 74 N 0.00 0.39 -0.07 4.88 3.20 -0.84 0.25 116.97 124.78 2kjg h TYR 74 Ca 0.00 -0.08 -0.18 0.00 3.14 0.00 0.00 58.73 61.61 2kjg h TYR 74 Cb 0.77 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 2kjg h TYR 74 CO 0.00 0.59 -0.73 0.87 -1.64 0.00 0.00 178.16 177.25 2kjg h LYS 75 N 0.31 0.38 0.00 1.82 1.57 -1.49 -2.79 116.57 116.38 2kjg h LYS 75 Ca 0.05 -0.31 -0.11 0.00 -1.87 0.00 0.00 60.65 58.41 2kjg h LYS 75 Cb 0.63 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.99 2kjg h LYS 75 CO 0.05 0.95 -0.62 -0.22 -0.57 0.00 0.00 179.45 179.03 2kjg h LYS 76 N 0.26 0.00 0.00 3.15 3.64 -1.40 -3.44 116.57 118.79 2kjg h LYS 76 Ca -0.03 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 2kjg h LYS 76 Cb 1.30 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.11 2kjg h LYS 76 CO 0.12 0.85 -1.10 0.44 -2.27 0.00 0.00 179.45 177.49 2kjg n ILE 77 N -4.54 0.10 0.00 2.00 -5.35 0.77 -5.10 119.36 107.24 2kjg n ILE 77 Ca -0.19 -0.06 0.00 0.00 -0.27 0.00 0.00 62.75 62.22 2kjg n ILE 77 Cb 0.52 -0.83 0.00 0.00 -1.74 0.00 0.00 39.64 37.59 2kjg n ILE 77 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2kjg n GLY 78 N 2.86 3.83 0.33 3.28 0.00 -0.58 -4.75 105.19 110.16 2kjg n GLY 78 Ca -0.02 -1.48 -0.01 0.00 0.00 0.00 0.00 46.02 44.52 2kjg n GLY 78 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2kjg h ILE 79 N 0.48 1.20 -0.38 -0.61 6.09 -1.80 -2.20 117.51 120.29 2kjg h ILE 79 Ca 0.00 -0.51 -0.07 0.00 -1.37 0.00 0.00 64.86 62.92 2kjg h ILE 79 Cb 0.00 0.31 -0.02 0.00 0.47 0.00 0.00 36.82 37.58 2kjg h ILE 79 CO 0.00 0.22 -0.04 -0.33 -3.07 0.00 0.00 178.15 174.93 2kjg h GLU 80 N 0.92 0.62 -0.23 2.19 5.08 -1.95 0.23 114.58 121.45 2kjg h GLU 80 Ca 0.23 -0.16 -0.06 0.00 -1.00 0.00 0.00 59.36 58.38 2kjg h GLU 80 Cb 0.03 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 2kjg h GLU 80 CO -0.04 0.68 -0.07 -0.97 -1.00 0.00 0.00 179.01 177.60 2kjg h ASN 81 N 0.59 0.47 -0.42 1.42 -0.73 -1.71 -3.00 115.58 112.19 2kjg h ASN 81 Ca 0.12 -0.38 -0.10 0.00 1.87 0.00 0.00 56.30 57.80 2kjg h ASN 81 Cb 0.43 -0.13 -0.02 0.00 0.27 0.00 0.00 38.32 38.88 2kjg h ASN 81 CO 0.02 0.74 -0.11 0.58 -0.37 0.00 0.00 177.43 178.29 2kjg h VAL 82 N 0.19 1.26 -0.46 2.57 2.07 -0.93 -1.72 116.25 119.23 2kjg h VAL 82 Ca 0.06 -1.21 0.09 0.00 0.82 0.00 0.00 66.70 66.45 2kjg h VAL 82 Cb 0.55 1.01 -0.09 0.00 -1.52 0.00 0.00 31.29 31.24 2kjg h VAL 82 CO 0.03 0.42 -0.12 -1.13 0.02 0.00 0.00 177.57 176.79 2kjg h ASN 83 N 0.79 -0.43 -0.45 0.57 -0.73 -0.52 0.15 115.58 114.97 2kjg h ASN 83 Ca 0.13 0.14 -0.12 0.00 1.87 0.00 0.00 56.30 58.31 2kjg h ASN 83 Cb 0.63 0.29 -0.01 0.00 0.27 0.00 0.00 38.32 39.49 2kjg h ASN 83 CO 0.04 -0.15 -0.20 -0.61 -0.37 0.00 0.00 177.43 176.14 2kjg h GLN 84 N -0.00 0.92 -0.75 6.67 -0.00 -1.35 -2.22 115.11 118.39 2kjg h GLN 84 Ca 0.22 -0.40 -0.01 0.00 -0.00 0.00 0.00 58.65 58.47 2kjg h GLN 84 Cb 0.34 -0.03 -0.04 0.00 0.00 0.00 0.00 27.48 27.75 2kjg h GLN 84 CO -0.47 1.06 0.43 -0.07 0.00 0.00 0.00 178.83 179.78 2kjg h LEU 85 N 0.76 0.91 -0.40 -2.39 3.38 -0.27 0.11 115.31 117.41 2kjg h LEU 85 Ca 0.10 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 2kjg h LEU 85 Cb 0.77 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 2kjg h LEU 85 CO 0.06 0.72 0.11 0.40 0.09 0.00 0.00 178.44 179.82 2kjg h ILE 86 N 1.03 1.23 -0.43 1.22 1.08 -0.61 -0.96 117.51 120.06 2kjg h ILE 86 Ca 0.27 -0.76 -0.01 0.00 -0.39 0.00 0.00 64.86 63.96 2kjg h ILE 86 Cb -0.01 0.96 -0.02 0.00 -3.07 0.00 0.00 36.82 34.68 2kjg h ILE 86 CO -0.05 0.27 0.21 -0.07 -0.69 0.00 0.00 178.15 177.82 2kjg h LEU 87 N 0.51 0.54 -0.22 1.44 3.38 -0.79 -1.51 115.31 118.65 2kjg h LEU 87 Ca 0.13 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 2kjg h LEU 87 Cb 0.30 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2kjg h LEU 87 CO -0.00 0.46 -0.01 0.74 0.09 0.00 0.00 178.44 179.72 2kjg h THR 88 N 0.61 1.26 -0.39 0.22 2.02 -0.39 -2.70 112.91 113.54 2kjg h THR 88 Ca 0.15 -0.92 -0.06 0.00 0.77 0.00 0.00 66.41 66.36 2kjg h THR 88 Cb 0.06 1.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 2kjg h THR 88 CO -0.02 0.28 0.01 0.74 0.37 0.00 0.00 175.52 176.90 2kjg h THR 89 N 0.15 1.21 0.00 3.16 2.02 -0.31 0.33 112.91 119.47 2kjg h THR 89 Ca 0.06 -0.85 0.00 0.00 0.77 0.00 0.00 66.41 66.40 2kjg h THR 89 Cb 0.42 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 2kjg h THR 89 CO 0.01 0.29 -0.24 0.16 0.37 0.00 0.00 175.52 176.12 2kjg h ILE 90 N 0.59 0.00 0.00 3.11 3.07 -1.31 -3.40 117.51 119.56 2kjg h ILE 90 Ca 0.12 -0.91 -0.00 0.00 1.55 0.00 0.00 64.86 65.62 2kjg h ILE 90 Cb 0.36 1.78 -0.00 0.00 -0.27 0.00 0.00 36.82 38.69 2kjg h ILE 90 CO 0.01 0.00 -0.79 0.29 -1.05 0.00 0.00 178.15 176.61 2kjg n LYS 91 N -2.86 0.41 -1.57 0.16 5.02 -0.96 -3.94 118.16 114.43 2kjg n LYS 91 Ca 0.03 0.16 -0.17 0.00 -2.02 0.00 0.00 58.31 56.32 2kjg n LYS 91 Cb 0.52 -1.23 -0.07 0.00 -0.02 0.00 0.00 35.03 34.23 2kjg n LYS 91 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2kjg n LEU 92 N -4.25 -1.28 0.27 -0.35 4.77 0.11 -4.92 117.00 111.35 2kjg n LEU 92 Ca -0.11 0.37 -0.15 0.00 -0.03 0.00 0.00 56.01 56.09 2kjg n LEU 92 Cb 0.41 -2.42 -0.08 0.00 -2.33 0.00 0.00 43.42 39.00 2kjg n LEU 92 CO 0.16 -0.81 0.52 -0.08 -1.33 0.00 0.00 177.39 175.85 2kjg h GLU 93 N 0.00 -0.67 -4.69 3.23 4.22 -1.93 -3.44 114.58 111.29 2kjg h GLU 93 Ca -0.35 0.05 -0.35 0.00 0.08 0.00 0.00 59.36 58.78 2kjg h GLU 93 Cb 1.12 0.15 -0.26 0.00 0.50 0.00 0.00 28.75 30.27 2kjg h GLU 93 CO 0.50 -0.37 -0.76 -3.38 -2.18 0.00 0.00 179.01 172.82 2kjg s HIS 94 N -5.03 0.76 -0.04 0.92 -3.43 -1.26 -5.12 115.29 102.09 2kjg s HIS 94 Ca -0.15 -0.27 -0.24 0.00 -0.80 0.00 0.00 55.06 53.60 2kjg s HIS 94 Cb 0.02 -0.47 -0.04 0.00 -1.43 0.00 0.00 32.58 30.66 2kjg s HIS 94 CO 0.53 -0.02 0.72 -1.01 -2.00 0.00 0.00 174.74 172.96 2kjg s HIS 95 N -0.63 3.61 -1.14 0.38 3.76 -1.26 -4.96 115.29 115.04 2kjg s HIS 95 Ca -0.01 1.31 -0.08 0.00 -0.15 0.00 0.00 55.06 56.13 2kjg s HIS 95 Cb -0.06 -2.82 -0.13 0.00 1.11 0.00 0.00 32.58 30.68 2kjg s HIS 95 CO 0.00 0.12 3.02 -2.39 -0.85 0.00 0.00 174.74 174.64 2kjg n HIS 96 N 3.59 1.70 0.23 1.40 1.44 -1.26 -3.87 115.22 118.45 2kjg n HIS 96 Ca -0.01 -2.56 0.00 0.00 -2.01 0.00 0.00 57.72 53.14 2kjg n HIS 96 Cb 0.51 -2.18 0.00 0.00 0.12 0.00 0.00 29.99 28.45 2kjg n HIS 96 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2kjg n HIS 97 N 3.36 -4.64 -2.45 -1.40 -0.00 -1.26 -5.02 115.22 103.82 2kjg n HIS 97 Ca 0.66 1.57 -0.39 0.00 0.46 0.00 0.00 57.72 60.02 2kjg n HIS 97 Cb 0.39 3.87 -0.02 0.00 -0.12 0.00 0.00 29.99 34.11 2kjg n HIS 97 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2kjg s HIS 98 N -1.94 2.51 0.00 1.57 3.76 -1.25 -5.32 115.29 114.62 2kjg s HIS 98 Ca 0.00 -0.93 0.00 0.00 -0.15 0.00 0.00 55.06 53.98 2kjg s HIS 98 Cb 0.00 -4.56 0.00 0.00 1.11 0.00 0.00 32.58 29.13 2kjg s HIS 98 CO 0.00 -1.72 0.00 1.58 -0.85 0.00 0.00 174.74 173.75